N-[[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]-methyl-oxo-λ6-sulfanylidene]acetamide

C9H14N2O3S2 — CID 146611533

IUPACN-[[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]-methyl-oxo-λ6-sulfanylidene]acetamide
SMILESCC(=O)N=S(C)(=O)c1cnc(C(C)(C)O)s1
InChIInChI=1S/C9H14N2O3S2/c1-6(12)11-16(4,14)7-5-10-8(15-7)9(2,3)13/h5,13H,1-4H3
InChIKeyUMBHMVJFDMGJKA-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.37
Rot. Bonds2

About N-[[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]-methyl-oxo-λ6-sulfanylidene]acetamide

N-[[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]-methyl-oxo-λ6-sulfanylidene]acetamide (PubChem CID 146611533) has the molecular formula C9H14N2O3S2 and a molecular weight of 262.36 g/mol. Its IUPAC name is N-[[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]-methyl-oxo-λ6-sulfanylidene]acetamide.

Molecular Properties

Compound NameN-[[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]-methyl-oxo-λ6-sulfanylidene]acetamide
PubChem CID146611533
Molecular FormulaC9H14N2O3S2
Molecular Weight262.36 g/mol
Exact Mass262.04
IUPAC NameN-[[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]-methyl-oxo-λ6-sulfanylidene]acetamide
SMILESCC(=O)N=S(C)(=O)c1cnc(C(C)(C)O)s1
InChIInChI=1S/C9H14N2O3S2/c1-6(12)11-16(4,14)7-5-10-8(15-7)9(2,3)13/h5,13H,1-4H3
InChIKeyUMBHMVJFDMGJKA-UHFFFAOYSA-N
XLogP1.37
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]-methyl-oxo-λ6-sulfanylidene]acetamide?
The IUPAC name of N-[[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]-methyl-oxo-λ6-sulfanylidene]acetamide (CID 146611533) is N-[[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]-methyl-oxo-λ6-sulfanylidene]acetamide.
What is the SMILES notation for N-[[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]-methyl-oxo-λ6-sulfanylidene]acetamide?
The canonical SMILES for N-[[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]-methyl-oxo-λ6-sulfanylidene]acetamide is CC(=O)N=S(C)(=O)c1cnc(C(C)(C)O)s1.
What is the InChIKey of N-[[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]-methyl-oxo-λ6-sulfanylidene]acetamide?
The InChIKey is UMBHMVJFDMGJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3S2/c1-6(12)11-16(4,14)7-5-10-8(15-7)9(2,3)13/h5,13H,1-4H3.
What are the key properties of N-[[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]-methyl-oxo-λ6-sulfanylidene]acetamide?
N-[[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]-methyl-oxo-λ6-sulfanylidene]acetamide has a molecular weight of 262.36 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]-methyl-oxo-λ6-sulfanylidene]acetamide is sourced from PubChem (CID 146611533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).